LAMMPS (29 Jun 2012)
# REBO polyethelene benchmark

units		    metal
atom_style	    atomic

read_data	    data.rebo
  orthogonal box = (-2.1 -2.1 0) to (2.1 2.1 25.579)
  1 by 1 by 1 MPI processor grid
  60 atoms

replicate	    17 16 2
  orthogonal box = (-2.1 -2.1 0) to (69.3 65.1 51.158)
  1 by 1 by 1 MPI processor grid
  32640 atoms

neighbor	    0.5 bin
neigh_modify	    delay 5 every 1

pair_style	    rebo
pair_coeff	    * * CH.airebo C H

velocity	    all create 300.0 761341

fix		    1 all nve
timestep	    0.0005

thermo		    10
run		    100
Memory usage per processor = 33.1619 Mbytes
Step Temp E_pair E_mol TotEng Press 
       0          300   -138442.48            0    -137176.8    2464.5258 
      10    161.83836   -137855.93            0   -137173.14     14222.57 
      20    212.11275   -138067.85            0   -137172.96   -26955.685 
      30     118.6053   -137669.82            0   -137169.43   -14705.957 
      40    192.52805   -137982.54            0   -137170.28   -6869.6528 
      50    121.53391   -137682.34            0   -137169.59     4940.722 
      60    202.88352   -138028.88            0   -137172.93    15911.927 
      70    195.08113   -137996.06            0   -137173.03   -12031.849 
      80    230.84583   -138148.96            0   -137175.04   -8565.0012 
      90    166.26203   -137874.27            0   -137172.83   -31552.577 
     100    191.03117   -137977.88            0   -137171.94   -1153.5542 
Loop time of 10.3821 on 1 procs for 100 steps with 32640 atoms

Pair  time (%) = 8.10849 (78.1005)
Neigh time (%) = 2.15209 (20.7288)
Comm  time (%) = 0.0356007 (0.342904)
Outpt time (%) = 0.00113368 (0.0109195)
Other time (%) = 0.0848057 (0.816844)

Nlocal:    32640 ave 32640 max 32640 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    26746 ave 26746 max 26746 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    0 ave 0 max 0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:  4.87269e+06 ave 4.87269e+06 max 4.87269e+06 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 4872694
Ave neighs/atom = 149.286
Neighbor list builds = 8
Dangerous builds = 0
